Paliperidone
Function
DrugBank ID:
Description:
Paliperidone is the primary active metabolite of risperidone. The mechanism of action is unknown but it is likely to act via a similar pathway to risperidone. It has been proposed that the drug's therapeutic activity in schizophrenia is mediated through a combination of central dopamine Type 2 (D2) and serotonin Type 2 (5HT2A) receptor antagonism. Paliperidone is also active as an antagonist at alpha 1 and alpha 2 adrenergic receptors and H1 histaminergic receptors, which may explain some of the other effects of the drug. Paliperidone was approved by the FDA for treatment of schizophrenia on December 20, 2006. [DrugBank]
Targets:
5-hydroxytryptamine receptor 2A (Humans); Dopamine D2 receptor (Humans); Histamine H1 receptor (Humans); Alpha-1A adrenergic receptor (Humans); Alpha-1B adrenergic receptor (Humans); Dopamine D4 receptor (Humans); 5-hydroxytryptamine receptor 1D (Humans); Dopamine D3 receptor (Humans); 5-hydroxytryptamine receptor 2C (Humans); Alpha-2A adrenergic receptor (Humans); Alpha-2B adrenergic receptor (Humans); Alpha-2C adrenergic receptor (Humans); 5-hydroxytryptamine receptor 1A (Humans); Dopamine D1 receptor (Humans); 5-hydroxytryptamine receptor 7 (Humans) [DrugBank]
Pharmacodynamics:
Paliperidone is an atypical antipsychotic developed by Janssen Pharmaceutica. Chemically, paliperidone is primary active metabolite of the older antipsychotic risperidone (paliperidone is 9-hydroxyrisperidone). The mechanism of action is unknown but it is likely to act via a similar pathway to risperidone. [DrugBank]
Structures
Docking in target protein
Off-target analysis based on ligand similarity (Homo sapiens)
Step 1 - Target prediction for Paliperidone: SwissTargetPrediction
Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Paliperidone in the SMILES input box.
Step 2 - Blind docking for Paliperidone: CB-Dock
Tips: Click on the link to jump to the 'CB-Dock' webserver. Upload the structure file of target predicted by 'SwissTargetPrediction' and the 2D/3D structure file of Paliperidone to perform blind docking.